1-ethyl-3-phenyl-1-(pyridin-1-ium-4-ylmethyl)thiourea

Systemtic Name: 1-ethyl-3-phenyl-1-(pyridin-1-ium-4-ylmethyl)thiourea Openeye Name: 1-ethyl-3-phenyl-1-(pyridin-1-ium-4-ylmethyl)thiourea CAS Name: 1-ethyl-3-phenyl-1-(4-pyridin-1-iumylmethyl)thiourea IUPAC Name: 1-ethyl-3-phenyl-1-(pyridin-1-ium-4-ylmethyl)thiourea Traditional Name: 1-ethyl-3-phenyl-1-(pyridin-1-ium-4-ylmethyl)thiourea Formula: C15H18N3S+ MolecularWeight: 272.38852

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=[NH+]C=C1)C(=S)NC2=CC=CC=C2

Isomeric SMILES

CCN(CC1=CC=[NH+]C=C1)C(=S)NC2=CC=CC=C2

InChI

InChI=1S/C15H17N3S/c1-2-18(12-13-8-10-16-11-9-13)15(19)17-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,17,19)/p+1